3-cyclopentyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-b]pyridine

C11H16N2O — CID 84647083

IUPAC3-cyclopentyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-b]pyridine
SMILESC1CNc2c(C3CCCC3)noc2C1
InChIInChI=1S/C11H16N2O/c1-2-5-8(4-1)10-11-9(14-13-10)6-3-7-12-11/h8,12H,1-7H2
InChIKeyJYZYQDBBBOMMQD-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.69
Rot. Bonds1

About 3-cyclopentyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-b]pyridine

3-cyclopentyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-b]pyridine (PubChem CID 84647083) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-cyclopentyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name3-cyclopentyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-b]pyridine
PubChem CID84647083
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-cyclopentyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-b]pyridine
SMILESC1CNc2c(C3CCCC3)noc2C1
InChIInChI=1S/C11H16N2O/c1-2-5-8(4-1)10-11-9(14-13-10)6-3-7-12-11/h8,12H,1-7H2
InChIKeyJYZYQDBBBOMMQD-UHFFFAOYSA-N
XLogP2.69
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-cyclopentyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-1-cyclopentylpropan-2-yl]-5-cyclopropyl-3-methyl-1,2-oxazol-4-amine
CID 97309834
3-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-N,N,5-trimethyl-1,2-oxazol-4-amine;2,2,2-trifluoroacetic acid
CID 175855268
3,4-ditert-butyl-6,7-dihydro-5H-[1,2]oxazolo[4,5-b]pyridine
CID 59483833
3-Methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-b]pyridine
CID 83478998
3-ethyl-4-methyl-6,7-dihydro-5H-[1,2]oxazolo[4,5-b]pyridine
CID 90695712
3-cyclohexyl-N,5-dimethyl-1,2-oxazol-4-amine
CID 142203238
3-Tert-butyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-b]pyridine
CID 146338912
3-Propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-b]pyridine
CID 170079266
3-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-5-methyl-1,2-oxazol-4-amine
CID 175860962
N-(1-cyclopentylpropan-2-yl)-5-cyclopropyl-3-methyl-1,2-oxazol-4-amine
CID 75458577
3-(aminomethyl)-5-cyclobutyl-N,N-dimethyl-1,2-oxazol-4-amine
CID 82373293
3-cyclopentyl-6,7-dihydro-5H-[1,2]oxazolo[5,4-c]pyridin-4-one
CID 82395967

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-b]pyridine?
The IUPAC name of 3-cyclopentyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-b]pyridine (CID 84647083) is 3-cyclopentyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 3-cyclopentyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-b]pyridine?
The canonical SMILES for 3-cyclopentyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-b]pyridine is C1CNc2c(C3CCCC3)noc2C1.
What is the InChIKey of 3-cyclopentyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-b]pyridine?
The InChIKey is JYZYQDBBBOMMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-2-5-8(4-1)10-11-9(14-13-10)6-3-7-12-11/h8,12H,1-7H2.
What are the key properties of 3-cyclopentyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-b]pyridine?
3-cyclopentyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-b]pyridine has a molecular weight of 192.26 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 84647083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).